Geometry & MOs

Info

ID:	169987
PubChem CID:	75177103
Reduced:	S2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-25.93
Dipole, Da:	5.61
IP(EA), eV:	-8.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-ylsulfanyl)-N-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3S2)OCC(C)C

DOS

IR

Vibrations